Geometry & MOs

Info

ID:	159867
PubChem CID:	57288835
Reduced:	ClIN2O2C17H20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	440.05177
ΔH_f, kcal/mol:	-32.09
Dipole, Da:	2.81
IP(EA), eV:	-8.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-(3-bromophenoxy)-2-methylbutan-2-yl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methylimidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)CC1=C(N=C(C(=N1)OC)CI)OCC2=CC=CC=C2Cl

DOS

IR

Vibrations